Chemical Properties of 6,7-Dehydrohyoscyamine (CAS 61616-97-5)

6,7-Dehydrohyoscyamine

InChI
InChI=1S/C17H21NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-8,13-16,19H,9-11H2,1H3
InChI Key
NZJZSPMNEYIORP-UHFFFAOYSA-N
Formula
C17H21NO3
SMILES
CN1C2C=CC1CC(OC(=O)C(CO)c1ccccc1)C2
Molecular Weight1
287.35
CAS
61616-97-5
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Physical Properties

Property Value Unit Source
log10WS -1.83 Relay (1.0) Calculated Property
logPoct/wat 1.707 Crippen Calculated Property
McVol 223.900 ml/mol McGowan Calculated Property
Inp [2201.10; 2201.10]   Show Hide
Inp 2201.10 NIST
Inp 2201.10 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Thymidine, 3'-O-cyclotetramethylene-isopropylsilyl, 5'-O-TMS. Thymidine, 3',5'-bis(O-TMTBSi). Thymidine, 3'-O-TMS, 5'-O-cyclotetramethylene-tertbutylsilyl. Thymidine, 3'-O-cyclotetramethylene-tertbutylsilyl, 5'-O-TBDMS. Thymidine, 3'-O-cyclotetramethylene-tertbutylsilyl, 5'-O-cyclotetramethylene-isopropylsilyl. Thymidine, 3'-O-TBDMS, 5'-O-cyclotetramethylene-isopropylsilyl. Uridine, 2',5'-bis-O-TBDMS, 3'-O-TFA. Thymidine, 3'-O-TFA, 5'-O-cyclotetramethylene-isopropylsilyl. Thymidine, 5'-O-cyclotetramethylene-isopropylsilyl. Thymidine, 3'-O-cyclotetramethylene-isopropylsilyl, 5'-O-cyclotetramethylene-tertbutylsilyl. Thymidine, 3'-O-TBDMS, 5'-O-cyclotetramethylene-tertbutylsilyl. Thymidine, 3'-O-cyclotetramethylene-tertbutylsilyl, 5'-O-TMS. Thymidine, 5'-O-cyclotetramethylene-tertbutylsilyl. Thymidine, 3'-O-cyclotetramethylene-isopropylsilyl, 5'-O-TBDMS. Benazepril Me.

Find more compounds similar to 6,7-Dehydrohyoscyamine.

Sources

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